[2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-[(4-bromophenyl)carbamoyl]benzenesulfonate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-[(4-bromophenyl)carbamoyl]benzenesulfonate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-[(4-bromophenyl)carbamoyl]benzenesulfonate CAS Name: 3-[(4-bromoanilino)-oxomethyl]benzenesulfonic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 3-[(4-bromophenyl)carbamoyl]benzenesulfonate Traditional Name: 3-[(4-bromophenyl)carbamoyl]benzenesulfonic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C26H19BrN4O4S MolecularWeight: 563.42246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)Br)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)Br)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C26H19BrN4O4S/c1-17-9-14-25(24(15-17)31-29-22-7-2-3-8-23(22)30-31)35-36(33,34)21-6-4-5-18(16-21)26(32)28-20-12-10-19(27)11-13-20/h2-16H,1H3,(H,28,32)